2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide

C15H16N4O3 — CID 9206110

IUPAC2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccn1
InChIInChI=1S/C15H16N4O3/c1-18(2)14-7-6-12(19(21)22)9-13(14)15(20)17-10-11-5-3-4-8-16-11/h3-9H,10H2,1-2H3,(H,17,20)
InChIKeyLJGJRNKVGREXEF-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.99
Rot. Bonds5

About 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide

2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 9206110) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID9206110
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccn1
InChIInChI=1S/C15H16N4O3/c1-18(2)14-7-6-12(19(21)22)9-13(14)15(20)17-10-11-5-3-4-8-16-11/h3-9H,10H2,1-2H3,(H,17,20)
InChIKeyLJGJRNKVGREXEF-UHFFFAOYSA-N
XLogP1.99
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-nitro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55785970
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide
CID 9185042
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384
2-(dimethylamino)-N-[(4-methylsulfonylphenyl)methyl]-5-nitrobenzamide
CID 60553619
2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
CID 42997705
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 36714081
2-(dimethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-nitrobenzamide
CID 34487244
2-(dimethylamino)-5-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9317650

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 9206110) is 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccn1.
What is the InChIKey of 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is LJGJRNKVGREXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-18(2)14-7-6-12(19(21)22)9-13(14)15(20)17-10-11-5-3-4-8-16-11/h3-9H,10H2,1-2H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 9206110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).